pyridin-3-yl hypochlorite

C5H4ClNO — CID 91164948

IUPACpyridin-3-yl hypochlorite
SMILESClOc1cccnc1
InChIInChI=1S/C5H4ClNO/c6-8-5-2-1-3-7-4-5/h1-4H
InChIKeyDLMHGZCORILIRV-UHFFFAOYSA-N
MW129.55 g/mol
LogP1.61
Rot. Bonds1

About pyridin-3-yl hypochlorite

pyridin-3-yl hypochlorite (PubChem CID 91164948) has the molecular formula C5H4ClNO and a molecular weight of 129.55 g/mol. Its IUPAC name is pyridin-3-yl hypochlorite.

Molecular Properties

Compound Namepyridin-3-yl hypochlorite
PubChem CID91164948
Molecular FormulaC5H4ClNO
Molecular Weight129.55 g/mol
Exact Mass129.00
IUPAC Namepyridin-3-yl hypochlorite
SMILESClOc1cccnc1
InChIInChI=1S/C5H4ClNO/c6-8-5-2-1-3-7-4-5/h1-4H
InChIKeyDLMHGZCORILIRV-UHFFFAOYSA-N
XLogP1.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.55
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dipyridin-3-yloxypyrazine
CID 139072759
3-(2-bromopropan-2-yloxy)pyridine
CID 174735285
pyridin-3-yl hydrogen sulfite
CID 68912651
pyridin-3-ylmercury
CID 163821117
3-(2-chloroprop-2-enoxy)pyridine
CID 112558627
pyridin-3-yl sulfamate
CID 130625844
3-(3-phenoxypropoxy)pyridine
CID 86195847
sodium oxido-oxo-pyridin-3-yloxyphosphanium
CID 141390427
6-pyridin-3-yloxyhexan-1-amine;hydrochloride
CID 131726699
4-oxo-4-pyridin-3-yloxybut-2-enoic acid
CID 57184664
2-(2-pyridin-3-yloxyethoxy)ethanamine
CID 103482595
3-chloropyridine;hydroiodide
CID 173140425

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl hypochlorite?
The IUPAC name of pyridin-3-yl hypochlorite (CID 91164948) is pyridin-3-yl hypochlorite.
What is the SMILES notation for pyridin-3-yl hypochlorite?
The canonical SMILES for pyridin-3-yl hypochlorite is ClOc1cccnc1.
What is the InChIKey of pyridin-3-yl hypochlorite?
The InChIKey is DLMHGZCORILIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO/c6-8-5-2-1-3-7-4-5/h1-4H.
What are the key properties of pyridin-3-yl hypochlorite?
pyridin-3-yl hypochlorite has a molecular weight of 129.55 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl hypochlorite is sourced from PubChem (CID 91164948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).